Geometry & MOs

Info

ID:	71938
PubChem CID:	48415638
Reduced:	ClO2N3H20C21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	364.153541
ΔH_f, kcal/mol:	-9.5
Dipole, Da:	2.32
IP(EA), eV:	-9.06(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)N(C)CCCC3=NC4=CC=CC=C4N3

DOS

IR

Vibrations