Geometry & MOs

Info

ID:	157711
PubChem CID:	56436645
Reduced:	SO2N5C24H33 (1)
Stoich.:	AB2C5D24E33 (1)
Weight, g/mol:	408.231397
ΔH_f, kcal/mol:	-41.98
Dipole, Da:	2.15
IP(EA), eV:	-8.5(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-(4-pyrrolidin-1-ylphenyl)methanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N2CCSCC2)NC(=O)NCC3=CC(=CC=C3)C(=O)NCCN(C)C

DOS

IR

Vibrations