Geometry & MOs

Info

ID:	69269
PubChem CID:	46530550
Reduced:	ClO2N3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	368.148455
ΔH_f, kcal/mol:	-52.09
Dipole, Da:	4.85
IP(EA), eV:	-8.36(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(carbamoylamino)phenyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CCC(=O)NC2=CC=C(C=C2)NC(=O)NCC=C)Cl

DOS

IR

Vibrations