Geometry & MOs

Info

ID:	422404
PubChem CID:	135117778
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	354.169191
ΔH_f, kcal/mol:	-87.23
Dipole, Da:	4.96
IP(EA), eV:	-9.29(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(6-methoxypyridine-3-carbonyl)-1,4-diazepan-1-yl]-2-pyridin-3-ylethanone

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)C(=O)N2CCCCC2CCOC)C

DOS

IR

Vibrations