Geometry & MOs

Info

ID:	260770
PubChem CID:	103203175
Reduced:	ON4C11H16 (1)
Stoich.:	AB4C11D16 (1)
Weight, g/mol:	253.157898
ΔH_f, kcal/mol:	4.31
Dipole, Da:	7.07
IP(EA), eV:	-8.8(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[(1-phenylpropylamino)methyl]pyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

CC(C(=O)NC)NCC1=CN(C(=C1)C#N)C

DOS

IR

Vibrations