Geometry & MOs

Info

ID:	38935
PubChem CID:	8138195
Reduced:	N3O3C17H19 (1)
Stoich.:	A3B3C17D19 (1)
Weight, g/mol:	365.0375
ΔH_f, kcal/mol:	-73.0
Dipole, Da:	3.73
IP(EA), eV:	-9.29(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-(4-bromophenoxy)butanoyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)NNC(=O)C2=CC=CN2

DOS

IR

Vibrations