Geometry & MOs

Info

ID:	71066
PubChem CID:	48414242
Reduced:	N3O3C15H17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	300.169859
ΔH_f, kcal/mol:	-74.22
Dipole, Da:	6.83
IP(EA), eV:	-9.48(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C(=O)CCC2)C(=O)NCC3=C(NN=C3)C

DOS

IR

Vibrations