Geometry & MOs

Info

ID:	130726
PubChem CID:	51096617
Reduced:	O2N4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	330.148061
ΔH_f, kcal/mol:	-1.62
Dipole, Da:	6.35
IP(EA), eV:	-8.59(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1CC2=CC(=CC=C2)NC(=O)C3=CN4C=CC=CC4=N3

DOS

IR

Vibrations