Geometry & MOs

Info

ID:	75720
PubChem CID:	48423896
Reduced:	O2N3C18H23 (1)
Stoich.:	A2B3C18D23 (1)
Weight, g/mol:	393.18009
ΔH_f, kcal/mol:	-22.66
Dipole, Da:	3.05
IP(EA), eV:	-9.27(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC=C(C=C1)CN2C=CN=C2)OCC3CC3

DOS

IR

Vibrations