Geometry & MOs

Info

ID:	168806
PubChem CID:	75021003
Reduced:	ON2C33H38 (1)
Stoich.:	AB2C33D38 (1)
Weight, g/mol:	447.252192
ΔH_f, kcal/mol:	14.51
Dipole, Da:	3.22
IP(EA), eV:	-8.73(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-1-[1-[(3-nitrophenyl)methyl]pyrrolidin-2-yl]ethanol

Drug info:

PubChemData

Smile

CC(C)(CC1=CC2=CC=CC=C2C=C1)NCC(C3CCCN3CC4=CC(=CC=C4)C5=CC=CC=C5)O

DOS

IR

Vibrations