Geometry & MOs

Info

ID:	233668
PubChem CID:	91148448
Reduced:	N3O5C15H29 (1)
Stoich.:	A3B5C15D29 (1)
Weight, g/mol:	466.305624
ΔH_f, kcal/mol:	-233.14
Dipole, Da:	6.55
IP(EA), eV:	-9.22(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[4-[7-(2-methylbutyl)-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea

Drug info:

PubChemData

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CC.CC.CC1=CN(C(=O)N=C1NC)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O

DOS

IR

Vibrations