Geometry & MOs

Info

ID:	289396
PubChem CID:	104349432
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	297.241627
ΔH_f, kcal/mol:	-78.64
Dipole, Da:	5.08
IP(EA), eV:	-8.64(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-(2-aminoethyl)heptanoyl]piperidin-4-yl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1CCN(CC1)C(=O)C2=CC3=C(CCN3)C=C2

DOS

IR

Vibrations