Geometry & MOs

Info

ID:	421248
PubChem CID:	135115646
Reduced:	N3O3C18H23 (1)
Stoich.:	A3B3C18D23 (1)
Weight, g/mol:	320.209993
ΔH_f, kcal/mol:	-47.8
Dipole, Da:	3.94
IP(EA), eV:	-8.86(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1CCCN(CC1)C2=NOC(=C2C(=O)O)C3=CC=CC=C3

DOS

IR

Vibrations