Geometry & MOs

Info

ID:	328533
PubChem CID:	126724238
Reduced:	N2O4H30C31 (1)
Stoich.:	A2B4C30D31 (1)
Weight, g/mol:	378.3974
ΔH_f, kcal/mol:	-99.83
Dipole, Da:	3.29
IP(EA), eV:	-9.11(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-3-[5-[(3R)-3-tert-butylpyrrolidin-1-yl]-2,5-dimethylhexan-2-yl]piperidine

Drug info:

PubChemData

Smile

C[C@H](CC(CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)C3=CN(C(=O)C=C3)CC4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations