Geometry & MOs

Info

ID:	271773
PubChem CID:	103691285
Reduced:	NSO2C17H25 (1)
Stoich.:	ABC2D17E25 (1)
Weight, g/mol:	277.167794
ΔH_f, kcal/mol:	-109.5
Dipole, Da:	5.43
IP(EA), eV:	-9.16(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-hydroxycyclohexyl)methyl]-3-methoxy-4-methylbenzamide

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)C=C(S2)C(=O)NCC3CCCC(C3)O

DOS

IR

Vibrations