Geometry & MOs

Info

ID:	299926
PubChem CID:	117948506
Reduced:	NH19C21 (2)
Stoich.:	AB19C21 (2)
Weight, g/mol:	348.241293
ΔH_f, kcal/mol:	197.65
Dipole, Da:	2.98
IP(EA), eV:	-7.82(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(acetamidomethyl)-4-(5-methylcyclohexa-1,3-dien-1-yl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1C=CC=CC1C2=CC=CC(C2)C3=CC4=C(C=C3)N(C5CC4=CC=C5NC6CC=C(C=C6)C7=CC=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations