Geometry & MOs

Info

ID:	353432
PubChem CID:	127284808
Reduced:	OSN4C20H30 (1)
Stoich.:	ABC4D20E30 (1)
Weight, g/mol:	334.236876
ΔH_f, kcal/mol:	-19.78
Dipole, Da:	5.04
IP(EA), eV:	-9.05(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-propan-2-yl-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CSC(=N1)CCNC(=O)C2=CN(N=C2C3CCCCC3)C

DOS

IR

Vibrations