Geometry & MOs

Info

ID:	126320
PubChem CID:	50959291
Reduced:	N2C7H8 (3)
Stoich.:	A2B7C8 (3)
Weight, g/mol:	320.174945
ΔH_f, kcal/mol:	100.13
Dipole, Da:	7.52
IP(EA), eV:	-8.44(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCN1C(=CC(=C1C)C2=C(N=CN2CC3=NC=NN3)C4=CC=CC=C4)C

DOS

IR

Vibrations