Geometry & MOs

Info

ID:	198436
PubChem CID:	79101159
Reduced:	N2O2C15H20 (1)
Stoich.:	A2B2C15D20 (1)
Weight, g/mol:	222.173213
ΔH_f, kcal/mol:	-34.83
Dipole, Da:	4.56
IP(EA), eV:	-8.31(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(N1NCC(C2=CC=C(C=C2)OC)O)C

DOS

IR

Vibrations