Geometry & MOs

Info

ID:	342759
PubChem CID:	127265922
Reduced:	ClO2N4C14H21 (1)
Stoich.:	AB2C4D14E21 (1)
Weight, g/mol:	364.109089
ΔH_f, kcal/mol:	-84.82
Dipole, Da:	4.81
IP(EA), eV:	-9.24(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-N-cyclopropyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(C)C(=O)NC1CCN(CC1)C(=O)C2=CC(=CN2)Cl

DOS

IR

Vibrations