Geometry & MOs

Info

ID:	449422
PubChem CID:	135298456
Reduced:	N2O2C17H24 (1)
Stoich.:	A2B2C17D24 (1)
Weight, g/mol:	449.283098
ΔH_f, kcal/mol:	-72.06
Dipole, Da:	2.25
IP(EA), eV:	-8.98(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-(1,2,3,3a-tetrahydrocyclopenta[b]pyrrol-6-yl)pyridin-2-yl]-phenylmethyl]-2,6-di(propan-2-yl)aniline

Drug info:

PubChemData

Smile

CC(C)(C)CC(=O)N1CCN(CC1)C2=CC=CC=C2C=O

DOS

IR

Vibrations