Geometry & MOs

Info

ID:	417642
PubChem CID:	135102358
Reduced:	ClN2O3C16H17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	268.157563
ΔH_f, kcal/mol:	-103.7
Dipole, Da:	3.86
IP(EA), eV:	-9.04(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,5-trimethyl-N-(1-phenylcyclopropyl)pyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C(C=CN=C12)N3CC[C@@H]([C@@H](C3)O)C(=O)O)Cl

DOS

IR

Vibrations