Geometry & MOs

Info

ID:	178614
PubChem CID:	76356433
Reduced:	SO2N6H20C21 (1)
Stoich.:	AB2C6D20E21 (1)
Weight, g/mol:	438.263091
ΔH_f, kcal/mol:	47.72
Dipole, Da:	5.93
IP(EA), eV:	-8.97(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]-5-phenylpyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC3=C(S2)N=CC=C3)C(=O)CCC4=NC(=O)C5C=CC=CC5=N4

DOS

IR

Vibrations