Geometry & MOs

Info

ID:	205771
PubChem CID:	80155077
Reduced:	N2O2C15H22 (1)
Stoich.:	A2B2C15D22 (1)
Weight, g/mol:	276.220164
ΔH_f, kcal/mol:	-80.89
Dipole, Da:	6.52
IP(EA), eV:	-9.41(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-(cycloheptyloxymethyl)pyridin-3-yl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

CCC1CCC(CC1)NCC2=NC=C(C=C2)C(=O)O

DOS

IR

Vibrations