Geometry & MOs

Info

ID:	286820
PubChem CID:	104222517
Reduced:	N3H6C7 (2)
Stoich.:	A3B6C7 (2)
Weight, g/mol:	259.179696
ΔH_f, kcal/mol:	130.19
Dipole, Da:	5.88
IP(EA), eV:	-9.18(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(2-propylimidazol-1-yl)pyrimidin-5-yl]methyl]propan-2-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(N2C3=NC=C(C=N3)CN)CC#N

DOS

IR

Vibrations