Geometry & MOs

Info

ID:	71887
PubChem CID:	48415577
Reduced:	ON3C18H23 (1)
Stoich.:	AB3C18D23 (1)
Weight, g/mol:	392.184841
ΔH_f, kcal/mol:	-2.76
Dipole, Da:	3.91
IP(EA), eV:	-8.86(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CC3CCC=C3

DOS

IR

Vibrations