Geometry & MOs

Info

ID:	46561
PubChem CID:	10525242
Reduced:	ClNO4C22H26 (1)
Stoich.:	ABC4D22E26 (1)
Weight, g/mol:	367.251129
ΔH_f, kcal/mol:	-137.17
Dipole, Da:	10.43
IP(EA), eV:	-8.28(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-[4-(3-methoxyphenyl)butyl]phenoxy]ethyl]-1-methylpyrrolidine

Drug info:

PubChemData

Smile

CCC(C)/C=C(\C)/C=C/C1=CC2=C(C(=O)[C@](C(=O)C2=CN1C)(C)OC(=O)C)Cl

DOS

IR

Vibrations