Geometry & MOs

Info

ID:	38839
PubChem CID:	8138027
Reduced:	O2N3C14H19 (1)
Stoich.:	A2B3C14D19 (1)
Weight, g/mol:	261.147727
ΔH_f, kcal/mol:	-47.81
Dipole, Da:	1.44
IP(EA), eV:	-8.97(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

C1C[C@H]2C[C@H]1C[C@H]2CC(=O)NNC(=O)C3=CC=CN3

DOS

IR

Vibrations