Geometry & MOs

Info

ID:	345649
PubChem CID:	127269949
Reduced:	O3N4C18H20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	337.193632
ΔH_f, kcal/mol:	-35.94
Dipole, Da:	7.82
IP(EA), eV:	-9.83(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopropylpiperidin-4-yl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)CN4C(=NOC4=O)C5=NC=CN=C5

DOS

IR

Vibrations