Geometry & MOs

Info

ID:	397522
PubChem CID:	135030336
Reduced:	O2N3H23C24 (1)
Stoich.:	A2B3C23D24 (1)
Weight, g/mol:	392.104003
ΔH_f, kcal/mol:	5.27
Dipole, Da:	2.21
IP(EA), eV:	-8.75(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(benzimidazol-1-yl)-4-(2-chlorophenyl)-6-methylpyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(N=C1C(C)C)N2C=CC3=CC=CC=C32)C4=CC=CC=C4

DOS

IR

Vibrations