Geometry & MOs

Info

ID:	370751
PubChem CID:	127340113
Reduced:	NOC7H7 (3)
Stoich.:	ABC7D7 (3)
Weight, g/mol:	380.221226
ΔH_f, kcal/mol:	-45.15
Dipole, Da:	2.34
IP(EA), eV:	-8.8(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methyl-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-phenylmethanone

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2)CC(=O)N3CCN(CC3)C4=NC5=CC=CC=C5O4

DOS

IR

Vibrations