Geometry & MOs

Info

ID:	177952
PubChem CID:	76257869
Reduced:	N3O4C23H23 (1)
Stoich.:	A3B4C23D23 (1)
Weight, g/mol:	392.257612
ΔH_f, kcal/mol:	-49.43
Dipole, Da:	3.34
IP(EA), eV:	-8.45(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpyrazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2N(C1=CC(=O)COC(=O)C3=CC=C(O3)CN4C=CC=N4)C)C

DOS

IR

Vibrations