Geometry & MOs

Info

ID:	230283
PubChem CID:	87570578
Reduced:	O5N12C43H66 (1)
Stoich.:	A5B12C43D66 (1)
Weight, g/mol:	372.158626
ΔH_f, kcal/mol:	-83.59
Dipole, Da:	12.89
IP(EA), eV:	-8.45(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-[1-[3-(2-methoxypyridin-3-yl)phenyl]benzimidazol-5-yl]ethyl]formamide

Drug info:

PubChemData

Smile

C1CCN(CC1)CCNC2=C3C4=C(C(=C2)C(=O)NC3=O)C(=C(C(=C4C(=O)NNCCN5CCCCC5)C(=O)O)NCCN6CCCCC6)/C(=N/NCCN7CCCCC7)/N

DOS

IR

Vibrations