Geometry & MOs

Info

ID:	421042
PubChem CID:	135115275
Reduced:	SO4N8C31H36 (1)
Stoich.:	AB4C8D31E36 (1)
Weight, g/mol:	352.201159
ΔH_f, kcal/mol:	-41.31
Dipole, Da:	3.56
IP(EA), eV:	-8.86(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl-methylamino]-N-(1-methylpyrazol-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C2C=C(C=C1)OCCCN3C=C(CN(CCCNC(=O)[C@@H](NC2=O)CCSC)C(=O)C4=NC5=CC=CC=C5N=C4)N=N3

DOS

IR

Vibrations