Geometry & MOs

Info

ID:	122115
PubChem CID:	50795155
Reduced:	N7C19H27 (1)
Stoich.:	A7B19C27 (1)
Weight, g/mol:	390.194343
ΔH_f, kcal/mol:	83.96
Dipole, Da:	2.58
IP(EA), eV:	-8.37(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(cyclohexylmethylamino)-2-oxochromen-3-yl]-3-methylbenzamide

Drug info:

PubChemData

Smile

CCN(CC)CCNC1=NC(=C2C=NN(C2=N1)C)NC3=CC=CC=C3C

DOS

IR

Vibrations