Geometry & MOs

Info

ID:	365231
PubChem CID:	127317079
Reduced:	FOSN5C18H22 (1)
Stoich.:	ABCD5E18F22 (1)
Weight, g/mol:	379.237211
ΔH_f, kcal/mol:	-13.03
Dipole, Da:	7.22
IP(EA), eV:	-8.94(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-cyclopropyl-2-phenylpyrazol-3-yl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1CC3=NN=C(S3)C(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations