Geometry & MOs

Info

ID:	264841
PubChem CID:	103496892
Reduced:	ON3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	246.209599
ΔH_f, kcal/mol:	-36.57
Dipole, Da:	7.26
IP(EA), eV:	-8.13(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-propan-2-ylpiperidin-1-yl)phenyl]ethanamine

Drug info:

PubChemData

Smile

CC(C)C1CCN(CC1)C2=CC3=C(C=C2)C(C(=O)N3)NC

DOS

IR

Vibrations