Geometry & MOs

Info

ID:	77427
PubChem CID:	48430374
Reduced:	N3O4C17H25 (1)
Stoich.:	A3B4C17D25 (1)
Weight, g/mol:	389.11028
ΔH_f, kcal/mol:	-177.89
Dipole, Da:	3.91
IP(EA), eV:	-8.89(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(4-bromophenyl)methyl]pyrrolidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)CCOC1=CC=CC(=C1)NC(=O)CNC(=O)CNC(=O)C

DOS

IR

Vibrations