Geometry & MOs

Info

ID:	221098
PubChem CID:	85256796
Reduced:	N2C16H19 (1)
Stoich.:	A2B16C19 (1)
Weight, g/mol:	275.117095
ΔH_f, kcal/mol:	67.03
Dipole, Da:	2.18
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.187796
Charge, e:	0

Chem-info

IUPAC name:

N-[[phenyl(pyrimidin-4-yl)methylidene]amino]pyridin-2-amine

Drug info:

PubChemData

Smile

CN(C)C=CC1=CC=[N+](C=C1)CC2=CC=CC=C2

DOS

IR

Vibrations