Geometry & MOs

Info

ID:	304441
PubChem CID:	124596778
Reduced:	S2N5O7C32H37 (1)
Stoich.:	A2B5C7D32E37 (1)
Weight, g/mol:	313.19026
ΔH_f, kcal/mol:	-172.63
Dipole, Da:	8.98
IP(EA), eV:	-9.14(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(dimethylamino)phenyl]-[(3R)-3-(triazol-1-ylmethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)COC2=CC=C(C=C2)/C=N\NC(=O)[C@@H]3CN(CCN3S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

DOS

IR

Vibrations