Geometry & MOs

Info

ID:	143076
PubChem CID:	53143491
Reduced:	BrON4H17C23 (1)
Stoich.:	ABC4D17E23 (1)
Weight, g/mol:	380.163711
ΔH_f, kcal/mol:	81.22
Dipole, Da:	4.57
IP(EA), eV:	-9.03(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C2=CN=C(N=C2C3=CC=NC=C3)C4=CC=CC=C4)Br

DOS

IR

Vibrations