Geometry & MOs

Info

ID:	175081
PubChem CID:	75852770
Reduced:	O2N5C21H29 (1)
Stoich.:	A2B5C21D29 (1)
Weight, g/mol:	317.156184
ΔH_f, kcal/mol:	-22.43
Dipole, Da:	5.81
IP(EA), eV:	-9.01(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine

Drug info:

PubChemData

Smile

CCN(CC)CCN1C2=CC=CC=C2N=C1NC(=O)C3CC(=O)N(C3)C4CC4

DOS

IR

Vibrations