Geometry & MOs

Info

ID:	363470
PubChem CID:	127311273
Reduced:	OS2N4C18H20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	386.268176
ΔH_f, kcal/mol:	48.84
Dipole, Da:	4.1
IP(EA), eV:	-8.87(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyrrolidin-1-yl-[2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]cyclohexyl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)C3=CN=C(S3)C4=CSC=C4

DOS

IR

Vibrations