Geometry & MOs

Info

ID:	152807
PubChem CID:	56311881
Reduced:	N3O3C23H27 (1)
Stoich.:	A3B3C23D27 (1)
Weight, g/mol:	409.236542
ΔH_f, kcal/mol:	-60.6
Dipole, Da:	6.5
IP(EA), eV:	-8.95(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-ethylanilino)-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)CCOC3=CC=C(C=C3)C#N

DOS

IR

Vibrations