Geometry & MOs

Info

ID:	127363
PubChem CID:	51000246
Reduced:	O2N3C17H27 (1)
Stoich.:	A2B3C17D27 (1)
Weight, g/mol:	169.085127
ΔH_f, kcal/mol:	-108.92
Dipole, Da:	2.64
IP(EA), eV:	-8.03(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylpropyl)-4-nitropyrazole

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N)NC2CCN(CC2)C(=O)OC(C)(C)C

DOS

IR

Vibrations