Geometry & MOs

Info

ID:	322356
PubChem CID:	126669903
Reduced:	ClON7C21H30 (1)
Stoich.:	ABC7D21E30 (1)
Weight, g/mol:	390.193487
ΔH_f, kcal/mol:	12.93
Dipole, Da:	6.25
IP(EA), eV:	-8.64(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(2S)-2-[(4-chlorophenyl)methyl]-4-methoxypyrrolidin-1-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine

Drug info:

PubChemData

Smile

CC1CN([C@H](CN1C(=O)C)CC2=CC=C(C=C2)Cl)C3CCN(CC3)C4=NNC(=N4)N

DOS

IR

Vibrations