Geometry & MOs

Info

ID:	75136
PubChem CID:	48423073
Reduced:	O2N3C21H33 (1)
Stoich.:	A2B3C21D33 (1)
Weight, g/mol:	379.16444
ΔH_f, kcal/mol:	-49.91
Dipole, Da:	3.81
IP(EA), eV:	-8.56(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-oxo-3-phenyl-1-[(4-phenyl-1,2,4-triazol-3-yl)methylamino]propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)NCCCN1CCN(CC1)CC2=CC=CC=C2)OCC3CC3

DOS

IR

Vibrations