Geometry & MOs

Info

ID:	183291
PubChem CID:	77001526
Reduced:	O3N4C13H18 (1)
Stoich.:	A3B4C13D18 (1)
Weight, g/mol:	234.184447
ΔH_f, kcal/mol:	-77.3
Dipole, Da:	6.44
IP(EA), eV:	-8.96(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-phenyltriazolidin-4-yl)methyl]butan-1-amine

Drug info:

PubChemData

Smile

CNC(=O)CCNC(=O)CC1=CC=C(C=C1)C(=NO)N

DOS

IR

Vibrations