Geometry & MOs

Info

ID:	39884
PubChem CID:	8142724
Reduced:	N3C10H16 (1)
Stoich.:	A3B10C16 (1)
Weight, g/mol:	265.155218
ΔH_f, kcal/mol:	24.5
Dipole, Da:	1.36
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.019718
Charge, e:	1

Chem-info

IUPAC name:

[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-methyl-[(4-methylphenyl)methyl]azanium

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=CC(=[NH+]C=C2)N

DOS

IR

Vibrations