Geometry & MOs

Info

ID:	214280
PubChem CID:	84974894
Reduced:	O3N4C18H27 (1)
Stoich.:	A3B4C18D27 (1)
Weight, g/mol:	302.186852
ΔH_f, kcal/mol:	-103.84
Dipole, Da:	3.36
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755593
Charge, e:	1

Chem-info

IUPAC name:

1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]piperidin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C[NH+]2CCCC(C2)C(=O)N

DOS

IR

Vibrations