Geometry & MOs

Info

ID:	447138
PubChem CID:	135280603
Reduced:	ClN4C31H37 (1)
Stoich.:	AB4C31D37 (1)
Weight, g/mol:	306.228043
ΔH_f, kcal/mol:	64.87
Dipole, Da:	4.08
IP(EA), eV:	-8.03(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-methyl-4-(2-propan-2-yltetrazol-5-yl)pentan-2-yl]-2-propan-2-yltetrazole

Drug info:

PubChemData

Smile

CCC1CCN(C1)C2=CC(=CC(=C2)NC3=NC=C(C(=N3)/C(=C/C)/C4=C(C=C(C=C4)C)CC)Cl)C5CC5

DOS

IR

Vibrations