Geometry & MOs

Info

ID:	152016
PubChem CID:	56310860
Reduced:	N3O3C23H29 (1)
Stoich.:	A3B3C23D29 (1)
Weight, g/mol:	430.258006
ΔH_f, kcal/mol:	-100.43
Dipole, Da:	3.47
IP(EA), eV:	-8.59(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(cyclohexylcarbamoylamino)-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)NC3=CC=C(C=C3)C

DOS

IR

Vibrations