Geometry & MOs

Info

ID:	152913
PubChem CID:	56312003
Reduced:	N5O5C22H31 (1)
Stoich.:	A5B5C22D31 (1)
Weight, g/mol:	387.252192
ΔH_f, kcal/mol:	-184.07
Dipole, Da:	3.85
IP(EA), eV:	-8.64(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(cyclohexylamino)-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)NN3C(=O)C(NC3=O)(C)CC

DOS

IR

Vibrations