Geometry & MOs

Info

ID:	404580
PubChem CID:	135066916
Reduced:	NH8C9 (2)
Stoich.:	AB8C9 (2)
Weight, g/mol:	490.269239
ΔH_f, kcal/mol:	76.64
Dipole, Da:	2.81
IP(EA), eV:	-8.94(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-(2-benzoylanilino)-2-(1-cyclohexyltetrazol-5-yl)ethyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC=C(C=C2)CC3=CN=CC=C3

DOS

IR

Vibrations