Geometry & MOs

Info

ID:	415738
PubChem CID:	135088738
Reduced:	NO6C22H25 (1)
Stoich.:	AB6C22D25 (1)
Weight, g/mol:	364.153541
ΔH_f, kcal/mol:	-216.89
Dipole, Da:	9.22
IP(EA), eV:	-8.49(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(6-methoxypyridine-3-carbonyl)-1,4-diazepane-1-carbonyl]benzonitrile

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)CCOC23CCN(CC3)C(=O)C4=C(C=CC=C4O)O)OC

DOS

IR

Vibrations