Geometry & MOs

Info

ID:	81996
PubChem CID:	49855457
Reduced:	N5O5C23H31 (1)
Stoich.:	A5B5C23D31 (1)
Weight, g/mol:	423.22704
ΔH_f, kcal/mol:	-175.21
Dipole, Da:	4.49
IP(EA), eV:	-8.83(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[2-[(1S,9R)-3-[(3S)-3-methylmorpholin-4-yl]-12-oxa-4,6-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-5-yl]phenyl]urea

Drug info:

PubChemData

Smile

C[C@H]1COCCN1C2=NC(=NC3=C2COC3(C)C)C4=CC=C(C=C4)NC(=O)NC[C@H](CO)O

DOS

IR

Vibrations