Geometry & MOs

Info

ID:	296549
PubChem CID:	117583165
Reduced:	NC4H4 (4)
Stoich.:	AB4C4 (4)
Weight, g/mol:	203.117095
ΔH_f, kcal/mol:	85.46
Dipole, Da:	4.4
IP(EA), eV:	-8.79(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-N-(1H-pyrrol-2-ylmethyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CN(C1=CC2=CC=CC=C2C=C1)C3=NC(=NC=C3)CN

DOS

IR

Vibrations