Geometry & MOs

Info

ID:	426785
PubChem CID:	135153863
Reduced:	O8C25H46 (1)
Stoich.:	A8B25C46 (1)
Weight, g/mol:	362.08135
ΔH_f, kcal/mol:	-310.18
Dipole, Da:	4.13
IP(EA), eV:	-9.2(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]cyclobutan-1-amine;hydrochloride

Drug info:

PubChemData

Smile

CC(CC(C)(C)OC(=O)CC(=C)C(=O)OC(C)(C)CC(C)OOC(C)(C)C)OOC(C)(C)C

DOS

IR

Vibrations