Geometry & MOs

Info

ID:	55912
PubChem CID:	17397359
Reduced:	N2O4C17H26 (1)
Stoich.:	A2B4C17D26 (1)
Weight, g/mol:	319.14331
ΔH_f, kcal/mol:	-181.21
Dipole, Da:	3.35
IP(EA), eV:	-9.24(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C(C)C(=O)C2=C(C(=C(N2)C)C(=O)OC)C

DOS

IR

Vibrations