Geometry & MOs

Info

ID:	214152
PubChem CID:	81087082
Reduced:	OSN2C15H24 (1)
Stoich.:	ABC2D15E24 (1)
Weight, g/mol:	255.194677
ΔH_f, kcal/mol:	-45.56
Dipole, Da:	4.73
IP(EA), eV:	-9.06(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[3-(aminomethyl)pentanoyl]piperidin-3-yl]acetamide

Drug info:

PubChemData

Smile

CCC1C2=C(CCN1C(=O)CC(CC)CN)SC=C2

DOS

IR

Vibrations