Geometry & MOs

Info

ID:	305642
PubChem CID:	124963557
Reduced:	SO2N4C21H24 (1)
Stoich.:	AB2C4D21E24 (1)
Weight, g/mol:	319.179696
ΔH_f, kcal/mol:	-22.24
Dipole, Da:	5.99
IP(EA), eV:	-8.91(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3R)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]pyrimidine

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC(=O)N2CC[C@H](C2)C3=C(SC4=CC=CC=C43)C(=O)NC)C

DOS

IR

Vibrations