Geometry & MOs

Info

ID:	422563
PubChem CID:	135118043
Reduced:	NO3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	319.146681
ΔH_f, kcal/mol:	-123.59
Dipole, Da:	5.23
IP(EA), eV:	-9.43(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]-N-(1,3-thiazol-2-yl)butanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN(C)C(=O)[C@@H]2CC[C@@H]([C@@H](C2)OC)O

DOS

IR

Vibrations