Geometry & MOs

Info

ID:	417489
PubChem CID:	135095515
Reduced:	NSO5C14H19 (1)
Stoich.:	ABC5D14E19 (1)
Weight, g/mol:	276.231397
ΔH_f, kcal/mol:	-214.75
Dipole, Da:	5.38
IP(EA), eV:	-9.72(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[1-[(3-propan-2-ylimidazol-4-yl)methyl]azetidin-3-yl]piperidine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[C@@H]([C@@H](C2)O)C(=O)O

DOS

IR

Vibrations