Geometry & MOs

Info

ID:	72080
PubChem CID:	48415791
Reduced:	O2N3C21H21 (1)
Stoich.:	A2B3C21D21 (1)
Weight, g/mol:	418.200491
ΔH_f, kcal/mol:	-0.97
Dipole, Da:	2.68
IP(EA), eV:	-9.01(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(OC2=CC=CC=C12)C(=O)N(C)CCCC3=NC4=CC=CC=C4N3

DOS

IR

Vibrations