Geometry & MOs

Info

ID:	438530
PubChem CID:	135228273
Reduced:	N5C14H17 (1)
Stoich.:	A5B14C17 (1)
Weight, g/mol:	329.05276
ΔH_f, kcal/mol:	79.56
Dipole, Da:	5.57
IP(EA), eV:	-8.59(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-(1-bromoethylidene)-6-ethenyl-3-methyl-4,10b-dihydropyrazolo[4,3-d][1]benzazepine

Drug info:

PubChemData

Smile

CC1=C2C/C(=C(\C)/N)/N(C3=CC=CC=C3N2C=N1)N

DOS

IR

Vibrations