Geometry & MOs

Info

ID:	149648
PubChem CID:	53789322
Reduced:	BrClN4O6C46H52 (1)
Stoich.:	ABC4D6E46F52 (1)
Weight, g/mol:	310.142976
ΔH_f, kcal/mol:	-180.66
Dipole, Da:	5.64
IP(EA), eV:	-8.61(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzhydrylidenebutanedihydrazide

Drug info:

PubChemData

Smile

CCN(CC1=C(C(=CC(=C1)C(=O)OCCN(CCOC(=O)CC2=C(N(C3=C2C=C(C=C3)OC)C(=O)C4=CC=C(C=C4)Cl)C)CC5=CC=CC=C5)Br)N)C6CCCCC6

DOS

IR

Vibrations