Geometry & MOs

Info

ID:	6433
PubChem CID:	68608
Reduced:	O2N3C22H35 (1)
Stoich.:	A2B3C22D35 (1)
Weight, g/mol:	373.272927
ΔH_f, kcal/mol:	-101.31
Dipole, Da:	3.89
IP(EA), eV:	-8.48(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(dimethylamino)-N-(2,6-dimethylphenyl)-1-[(1R,2R)-2-hydroxycyclohexyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)C2(CCN(CC2)[C@@H]3CCCC[C@H]3O)N(C)C

DOS

IR

Vibrations