Geometry & MOs

Info

ID:	312140
PubChem CID:	126603343
Reduced:	O3N5C22H31 (1)
Stoich.:	A3B5C22D31 (1)
Weight, g/mol:	340.153541
ΔH_f, kcal/mol:	-80.65
Dipole, Da:	3.52
IP(EA), eV:	-8.33(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(aminomethyl)cyclohexyl]-2-oxo-10H-pyrimido[5,4-b][1,4]benzoxazine-9-carbaldehyde

Drug info:

PubChemData

Smile

CC(C)NCC1CCC(CC1)N2C=C3C(=NC2=O)NC4=C(O3)C=CC=C4OCCN

DOS

IR

Vibrations