Geometry & MOs

Info

ID:	305546
PubChem CID:	124959313
Reduced:	N2O4C27H30 (1)
Stoich.:	A2B4C27D30 (1)
Weight, g/mol:	337.19026
ΔH_f, kcal/mol:	-105.23
Dipole, Da:	3.62
IP(EA), eV:	-8.72(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-pyrazin-2-ylpiperidin-1-yl]-(2-pyrrolidin-1-ylpyridin-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)[C@@H]2CCCN(C2)C(=O)C3=C(C=C(C=C3)OC)OC)C4=CC=C(C=C4)OC

DOS

IR

Vibrations