Geometry & MOs

Info

ID:	38930
PubChem CID:	8138184
Reduced:	O2N5H21C23 (1)
Stoich.:	A2B5C21D23 (1)
Weight, g/mol:	303.104148
ΔH_f, kcal/mol:	47.63
Dipole, Da:	2.96
IP(EA), eV:	-8.83(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)NNC(=O)C3=CC=CN3)CC4=CC=CC=C4

DOS

IR

Vibrations