Geometry & MOs

Info

ID:	152907
PubChem CID:	56311996
Reduced:	N3O3C21H25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	396.204907
ΔH_f, kcal/mol:	3.09
Dipole, Da:	5.83
IP(EA), eV:	-9.17(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-pentan-3-yl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CN(CC2CC2)C(C)C3=CC=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations