Geometry & MOs

Info

ID:	418157
PubChem CID:	135103728
Reduced:	N2O3C19H26 (1)
Stoich.:	A2B3C19D26 (1)
Weight, g/mol:	401.221561
ΔH_f, kcal/mol:	-120.2
Dipole, Da:	4.42
IP(EA), eV:	-8.2(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethanone

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)CC3=CC=CC4=C3NC=C4)O

DOS

IR

Vibrations