Geometry & MOs

Info

ID:	372101
PubChem CID:	131293226
Reduced:	H5N5C7 (1)
Stoich.:	A5B5C7 (1)
Weight, g/mol:	172.100048
ΔH_f, kcal/mol:	101.13
Dipole, Da:	4.53
IP(EA), eV:	-9.18(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,4,5-tetrahydro-1H-2-benzazepine-5-carbonitrile

Drug info:

PubChemData

Smile

C1=CN2C=C(N=C2C(=N1)N)C#N

DOS

IR

Vibrations