Geometry & MOs

Info

ID:	276193
PubChem CID:	103821172
Reduced:	OSN2C11H20 (1)
Stoich.:	ABC2D11E20 (1)
Weight, g/mol:	222.148061
ΔH_f, kcal/mol:	-46.73
Dipole, Da:	2.76
IP(EA), eV:	-8.81(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-cyclopropyl-N-(1,3-dimethylpyrazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CCC1CC1NC(=O)CC2CSCCN2

DOS

IR

Vibrations