Geometry & MOs

Info

ID:	312160
PubChem CID:	126603390
Reduced:	ON2C14H28 (1)
Stoich.:	AB2C14D28 (1)
Weight, g/mol:	467.264488
ΔH_f, kcal/mol:	-95.66
Dipole, Da:	4.48
IP(EA), eV:	-9.1(1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(8-tert-butyl-2-oxo-10H-pyrimido[5,4-b][1,4]benzoxazin-3-yl)cyclohexyl]-3-(diaminomethylideneamino)propanamide

Drug info:

PubChemData

Smile

CCCCC(C)(C)CC(=O)NC1CCNCC1

DOS

IR

Vibrations