Geometry & MOs

Info

ID:	30244
PubChem CID:	841032
Reduced:	NOC16H25 (1)
Stoich.:	ABC16D25 (1)
Weight, g/mol:	206.04399
ΔH_f, kcal/mol:	-69.42
Dipole, Da:	3.71
IP(EA), eV:	-9.25(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-nitropyrazolo[1,5-a]pyrimidine-6-carbaldehyde

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)CC)NC(=O)C(CC)CC

DOS

IR

Vibrations