Geometry & MOs

Info

ID:	120779
PubChem CID:	50744172
Reduced:	O2N5H15C16 (1)
Stoich.:	A2B5C15D16 (1)
Weight, g/mol:	413.133533
ΔH_f, kcal/mol:	41.91
Dipole, Da:	10.76
IP(EA), eV:	-9.39(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,6-dimethoxy-4-[[3-(tetrazol-1-yl)phenyl]carbamoyl]phenyl] ethyl carbonate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC(=O)NC2=CC(=CC=C2)N3C=NN=N3

DOS

IR

Vibrations