Geometry & MOs

Info

ID:	343044
PubChem CID:	127266217
Reduced:	O2N3C17H25 (1)
Stoich.:	A2B3C17D25 (1)
Weight, g/mol:	348.169859
ΔH_f, kcal/mol:	-42.41
Dipole, Da:	1.51
IP(EA), eV:	-8.07(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-6-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyrimidine-4-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=C1O)CNCC2=CN(N=C2)C)OC

DOS

IR

Vibrations