Geometry & MOs

Info

ID:	152324
PubChem CID:	56311237
Reduced:	N4O5C23H28 (1)
Stoich.:	A4B5C23D28 (1)
Weight, g/mol:	356.190006
ΔH_f, kcal/mol:	-102.63
Dipole, Da:	8.23
IP(EA), eV:	-8.95(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-fluorophenyl)methyl]-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)NC3=C(C(=CC=C3)[N+](=O)[O-])C

DOS

IR

Vibrations