Geometry & MOs

Info

ID:	175465
PubChem CID:	75909192
Reduced:	SN3O3C25H41 (1)
Stoich.:	AB3C3D25E41 (1)
Weight, g/mol:	391.210721
ΔH_f, kcal/mol:	-165.76
Dipole, Da:	8.1
IP(EA), eV:	-8.76(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[1-(dimethylamino)-3-methylcyclohexyl]methylcarbamoyl]-5-nitrobenzoate

Drug info:

PubChemData

Smile

CC1CCCC(C1)(CNC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3C)C)C)N(C)C

DOS

IR

Vibrations