Geometry & MOs

Info

ID:	152541
PubChem CID:	56311495
Reduced:	ClN3O3C23H28 (1)
Stoich.:	AB3C3D23E28 (1)
Weight, g/mol:	431.242021
ΔH_f, kcal/mol:	-108.88
Dipole, Da:	3.93
IP(EA), eV:	-8.67(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-[2-(pentan-3-ylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)CC(=O)NC3=C(C=C(C=C3)C)Cl

DOS

IR

Vibrations