Geometry & MOs

Info

ID:	394503
PubChem CID:	135023118
Reduced:	N3C9H14 (2)
Stoich.:	A3B9C14 (2)
Weight, g/mol:	342.113506
ΔH_f, kcal/mol:	52.48
Dipole, Da:	6.97
IP(EA), eV:	-8.2(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2Z)-2-(7-chloro-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-ylidene)acetate

Drug info:

PubChemData

Smile

CC1(CN2CCN3CCN4C3=C(C2=N1)C5=NC(CN5CC4)(C)C)C

DOS

IR

Vibrations