Geometry & MOs

Info

ID:	73400
PubChem CID:	48417616
Reduced:	O2N5C12H15 (1)
Stoich.:	A2B5C12D15 (1)
Weight, g/mol:	384.03342
ΔH_f, kcal/mol:	-23.01
Dipole, Da:	5.42
IP(EA), eV:	-9.55(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC(C)N1CC(CC1=O)C(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations