Geometry & MOs

Info

ID:	151796
PubChem CID:	56310602
Reduced:	N3O3C24H31 (1)
Stoich.:	A3B3C24D31 (1)
Weight, g/mol:	425.231456
ΔH_f, kcal/mol:	-101.28
Dipole, Da:	4.17
IP(EA), eV:	-8.67(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-N-pentan-3-yl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations