Geometry & MOs

Info

ID:	322335
PubChem CID:	126669791
Reduced:	ClON7C20H30 (1)
Stoich.:	ABC7D20E30 (1)
Weight, g/mol:	371.212826
ΔH_f, kcal/mol:	19.61
Dipole, Da:	1.64
IP(EA), eV:	-8.56(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-chlorophenyl)methyl]-6,7-bis(ethenyl)-1-methyl-4-piperidin-4-yl-3,5-dihydro-2H-1,4-diazepine

Drug info:

PubChemData

Smile

CN1CC(N(CC1CO)C2CCN(CC2)C3=NNC(=N3)N)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations