Geometry & MOs

Info

ID:	281751
PubChem CID:	103914309
Reduced:	N2O3C14H22 (1)
Stoich.:	A2B3C14D22 (1)
Weight, g/mol:	238.179361
ΔH_f, kcal/mol:	-119.21
Dipole, Da:	3.99
IP(EA), eV:	-9.17(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N)NCC(C1=CC(=CC=C1)OC)O

DOS

IR

Vibrations