Geometry & MOs

Info

ID:	263136
PubChem CID:	103341576
Reduced:	NOH11C12 (1)
Stoich.:	ABC11D12 (1)
Weight, g/mol:	215.142248
ΔH_f, kcal/mol:	11.44
Dipole, Da:	3.49
IP(EA), eV:	-8.73(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(1H-pyrrol-2-yl)pyridin-3-yl]methyl]propan-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C=O)C2=CC=CN2

DOS

IR

Vibrations