Geometry & MOs

Info

ID:	391223
PubChem CID:	135003631
Reduced:	NO3C20H25 (1)
Stoich.:	AB3C20D25 (1)
Weight, g/mol:	305.162708
ΔH_f, kcal/mol:	-105.23
Dipole, Da:	4.77
IP(EA), eV:	-8.39(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[1-(methoxycarbamoyl)cyclohexyl]methyl]benzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CC(=C(C=C2C(=O)NC(C)C)OC)OC)C

DOS

IR

Vibrations