Geometry & MOs

Info

ID:	21672
PubChem CID:	589481
Reduced:	N3C11H13 (1)
Stoich.:	A3B11C13 (1)
Weight, g/mol:	187.110947
ΔH_f, kcal/mol:	34.57
Dipole, Da:	3.03
IP(EA), eV:	-8.94(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-7-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Drug info:

PubChemData

Smile

CC1CCC2=C(C(=NC=C2C1)N)C#N

DOS

IR

Vibrations