Geometry & MOs

Info

ID:	186374
PubChem CID:	77425593
Reduced:	N2O2C31H38 (1)
Stoich.:	A2B2C31D38 (1)
Weight, g/mol:	549.335528
ΔH_f, kcal/mol:	-63.59
Dipole, Da:	5.08
IP(EA), eV:	-8.56(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-tert-butylphenyl)-2-[4-(dimethylamino)cyclohexa-2,4-dien-1-yl]-1-(2-methylnaphthalene-1-carbonyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)N2CCCC(C2C3CC=CC=C3)C(=O)NC4=CC=CC(=C4)C(C)(C)C)C

DOS

IR

Vibrations