Geometry & MOs

Info

ID:	281567
PubChem CID:	103914055
Reduced:	ClO2N4C14H17 (1)
Stoich.:	AB2C4D14E17 (1)
Weight, g/mol:	266.210661
ΔH_f, kcal/mol:	-64.19
Dipole, Da:	10.21
IP(EA), eV:	-9.36(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methylamino]butanamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N)NCC1=NC(=O)C2=C(N1)C=C(C=C2)Cl

DOS

IR

Vibrations