Geometry & MOs

Info

ID:	152434
PubChem CID:	56311361
Reduced:	N2O2C11H15 (2)
Stoich.:	A2B2C11D15 (2)
Weight, g/mol:	419.220892
ΔH_f, kcal/mol:	-105.26
Dipole, Da:	8.11
IP(EA), eV:	-8.93(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)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=CC(=NO3)C(C)C

DOS

IR

Vibrations