Geometry & MOs

Info

ID:	361592
PubChem CID:	127303858
Reduced:	O2N5C22H33 (1)
Stoich.:	A2B5C22D33 (1)
Weight, g/mol:	385.222623
ΔH_f, kcal/mol:	-55.5
Dipole, Da:	5.07
IP(EA), eV:	-9.34(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CC(CC2=O)C(=O)N3CCCC(C3)C4=NN=CN4C5CC5

DOS

IR

Vibrations