Geometry & MOs

Info

ID:	333395
PubChem CID:	127251947
Reduced:	FON5C24H32 (1)
Stoich.:	ABC5D24E32 (1)
Weight, g/mol:	439.25834
ΔH_f, kcal/mol:	-57.45
Dipole, Da:	6.46
IP(EA), eV:	-8.98(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]pyrrolidin-3-yl]-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CCCC(=O)N2CCC(C2)C3=NC4=C(CCN(C4)C)C(=N3)NC)F

DOS

IR

Vibrations