Geometry & MOs

Info

ID:	371243
PubChem CID:	127344463
Reduced:	N2O3C18H26 (1)
Stoich.:	A2B3C18D26 (1)
Weight, g/mol:	331.189592
ΔH_f, kcal/mol:	-137.44
Dipole, Da:	3.82
IP(EA), eV:	-8.84(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dihydro-2H-chromen-4-ylmethylcarbamoylamino)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C1CCN(CC1)C(=O)NCC2CCOC3=CC=CC=C23)O

DOS

IR

Vibrations