Geometry & MOs

Info

ID:	57520
PubChem CID:	22401405
Reduced:	ON2H8C9 (1)
Stoich.:	AB2C8D9 (1)
Weight, g/mol:	640.337319
ΔH_f, kcal/mol:	112.82
Dipole, Da:	6.62
IP(EA), eV:	-8.85(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-propan-2-yloxycarbonyloxyethyl (2E)-2-[6-propan-2-yl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6,7,8-tetrahydrocyclohepta[d]imidazol-4-ylidene]acetate

Drug info:

PubChemData

Smile

CC1=NC2=C(N1)C=CC=CC2=O

DOS

IR

Vibrations