Geometry & MOs

Info

ID:	420826
PubChem CID:	135114894
Reduced:	SO4N6C19H26 (1)
Stoich.:	AB4C6D19E26 (1)
Weight, g/mol:	287.17461
ΔH_f, kcal/mol:	-127.55
Dipole, Da:	2.53
IP(EA), eV:	-9.12(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-dimethylpyrazol-4-yl)-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide

Drug info:

PubChemData

Smile

CC1=C(N=CN1)C(=O)N[C@@]2(CCOC3([C@H]2O)CCN(CC3)C(=O)C4=CSC(=N4)N)C

DOS

IR

Vibrations