Geometry & MOs

Info

ID:	148836
PubChem CID:	53788505
Reduced:	N2O2H40C51 (1)
Stoich.:	A2B2C40D51 (1)
Weight, g/mol:	420.196841
ΔH_f, kcal/mol:	116.66
Dipole, Da:	5.44
IP(EA), eV:	-8.47(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-benzhydryl-4-(2-chloro-N-methylanilino)pyrrolidin-3-yl]ethanol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N)OC2=C(C=C(C=C2)C3(C4=CC=CC=C4C5=CC=CC=C53)C6=CC(=C(C=C6)OC7=C(C=C(C=C7)N)C)C8=CC=CC=C8)C9=CC=CC=C9

DOS

IR

Vibrations