Geometry & MOs

Info

ID:	421250
PubChem CID:	135115648
Reduced:	FON4C17H23 (1)
Stoich.:	ABC4D17E23 (1)
Weight, g/mol:	320.209993
ΔH_f, kcal/mol:	-50.4
Dipole, Da:	6.12
IP(EA), eV:	-9.23(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-hydroxy-3-methoxycyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CC(=O)N(CCN(C)C)CC2=CN=CN2)F

DOS

IR

Vibrations