Geometry & MOs

Info

ID:	391712
PubChem CID:	135008862
Reduced:	NO2H13C14 (1)
Stoich.:	AB2C13D14 (1)
Weight, g/mol:	236.131349
ΔH_f, kcal/mol:	-24.98
Dipole, Da:	3.97
IP(EA), eV:	-8.88(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,2,5-trimethylpyrrol-3-yl)isoquinoline

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(N1)/C=C/C2=CC=CC=C2

DOS

IR

Vibrations