Geometry & MOs

Info

ID:	62243
PubChem CID:	26718544
Reduced:	BrN4O4H13C19 (1)
Stoich.:	AB4C4D13E19 (1)
Weight, g/mol:	414.03275
ΔH_f, kcal/mol:	-33.82
Dipole, Da:	1.26
IP(EA), eV:	-9.35(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(4-bromobenzoyl)-4-methoxy-1-phenylpyrazole-3-carbohydrazide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(O2)C(=O)N(C=N3)CC(=O)NNC(=O)C4=CC=C(C=C4)Br

DOS

IR

Vibrations