Geometry & MOs

Info

ID:	198426
PubChem CID:	79100112
Reduced:	O2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	208.157563
ΔH_f, kcal/mol:	40.08
Dipole, Da:	5.05
IP(EA), eV:	-8.51(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(2,5-dimethylpyrrol-1-yl)amino]methyl]cyclopentan-1-ol

Drug info:

PubChemData

Smile

CC1=CC=C(N1NCC2=C(C(=CC=C2)[N+](=O)[O-])C)C

DOS

IR

Vibrations