Geometry & MOs

Info

ID:	353309
PubChem CID:	127284638
Reduced:	SO3N4C18H26 (1)
Stoich.:	AB3C4D18E26 (1)
Weight, g/mol:	292.189926
ΔH_f, kcal/mol:	-121.33
Dipole, Da:	3.25
IP(EA), eV:	-8.79(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-1-methyl-N-[2-(3-methylmorpholin-4-yl)ethyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1COCCN1CCNC(=O)CCC2=NC3=C(C(=C(S3)C)C)C(=O)N2

DOS

IR

Vibrations