Geometry & MOs

Info

ID:	85761
PubChem CID:	49878840
Reduced:	SN2O5H18C21 (1)
Stoich.:	AB2C5D18E21 (1)
Weight, g/mol:	344.163711
ΔH_f, kcal/mol:	-98.18
Dipole, Da:	7.97
IP(EA), eV:	-8.43(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-4-[[2-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)CSC2=NC=CN(C2=O)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations