Geometry & MOs

Info

ID:	198438
PubChem CID:	79101161
Reduced:	Cl2N2C13H14 (1)
Stoich.:	A2B2C13D14 (1)
Weight, g/mol:	224.131349
ΔH_f, kcal/mol:	33.45
Dipole, Da:	2.42
IP(EA), eV:	-8.39(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-N-(3-phenylprop-2-ynyl)pyrrol-1-amine

Drug info:

PubChemData

Smile

CC1=CC=C(N1NCC2=C(C=CC(=C2)Cl)Cl)C

DOS

IR

Vibrations