Geometry & MOs

Info

ID:	374650
PubChem CID:	131342341
Reduced:	N2C13H16 (1)
Stoich.:	A2B13C16 (1)
Weight, g/mol:	200.131349
ΔH_f, kcal/mol:	32.06
Dipole, Da:	2.26
IP(EA), eV:	-8.89(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,9-dimethyl-2,3,4,5-tetrahydro-1H-3-benzazepine-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=C2CCNC(CC2=C(C=C1)C)C#N

DOS

IR

Vibrations