Geometry & MOs

Info

ID:	360330
PubChem CID:	127300973
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	368.23246
ΔH_f, kcal/mol:	-84.22
Dipole, Da:	5.79
IP(EA), eV:	-8.17(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-pyrazin-2-ylpiperidin-4-yl)-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations