Geometry & MOs

Info

ID:	305628
PubChem CID:	124963047
Reduced:	O2N5C21H27 (1)
Stoich.:	A2B5C21D27 (1)
Weight, g/mol:	357.151098
ΔH_f, kcal/mol:	-49.35
Dipole, Da:	4.31
IP(EA), eV:	-9.35(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-[(2R)-1-(3-thiophen-2-ylpropanoyl)pyrrolidin-2-yl]pyridin-2-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)N[C@@H]1CC2(CCN(CC2)CC3=CC4=NC=CN=C4C=C3)N(C1)C(=O)C

DOS

IR

Vibrations