Geometry & MOs

Info

ID:	260773
PubChem CID:	103203363
Reduced:	N3C14H23 (1)
Stoich.:	A3B14C23 (1)
Weight, g/mol:	262.121846
ΔH_f, kcal/mol:	22.67
Dipole, Da:	5.84
IP(EA), eV:	-8.86(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(isoquinolin-8-ylamino)methyl]-1-methylpyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

CCC(C)CC(C)NCC1=CN(C(=C1)C#N)C

DOS

IR

Vibrations