Geometry & MOs

Info

ID:	214985
PubChem CID:	85083959
Reduced:	O7N9C31H51 (1)
Stoich.:	A7B9C31D51 (1)
Weight, g/mol:	502.236021
ΔH_f, kcal/mol:	-317.7
Dipole, Da:	12.27
IP(EA), eV:	-8.53(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-butyl-N-[(4-chlorophenyl)methyl]-4-[[4-[2-(tetrazolidin-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N1CCCC1C(=O)NC(C(C)O)C(=O)O)NC(=O)CC(CC2=CC=C(C=C2)N)NC(=O)C(CCCN=C(N)N)N

DOS

IR

Vibrations