Geometry & MOs

Info

ID:	162751
PubChem CID:	57566593
Reduced:	O4N7H21C22 (1)
Stoich.:	A4B7C21D22 (1)
Weight, g/mol:	528.259737
ΔH_f, kcal/mol:	-19.6
Dipole, Da:	11.42
IP(EA), eV:	-9.2(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[6-[6-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]pyridin-3-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)NC1=NC2=C(C=C(C=C2N1)N3C=C(N=C3)C(=O)NC4CC4)C5=NCC(=O)C=C5

DOS

IR

Vibrations