Geometry & MOs

Info

ID:	126827
PubChem CID:	50980202
Reduced:	O3N4C19H28 (1)
Stoich.:	A3B4C19D28 (1)
Weight, g/mol:	348.158626
ΔH_f, kcal/mol:	-108.84
Dipole, Da:	5.95
IP(EA), eV:	-8.71(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2-methoxyphenyl)-2-(3-methylpyridin-4-yl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)CN1CCN(CC1)C2=C(C=CC=N2)C(=O)N3CCCCC3

DOS

IR

Vibrations