Geometry & MOs

Info

ID:	355713
PubChem CID:	127289786
Reduced:	O3N4C19H22 (1)
Stoich.:	A3B4C19D22 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	-57.88
Dipole, Da:	5.21
IP(EA), eV:	-8.36(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC2=C(C=C1)OCCCO2)N3CCC4=CN=CN=C4C3

DOS

IR

Vibrations