Geometry & MOs

Info

ID:	353501
PubChem CID:	127285078
Reduced:	O2N4C21H34 (1)
Stoich.:	A2B4C21D34 (1)
Weight, g/mol:	334.236876
ΔH_f, kcal/mol:	-80.43
Dipole, Da:	8.11
IP(EA), eV:	-8.68(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3,5-dimethyl-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)NCC3(CCOCC3)N4CCCC4

DOS

IR

Vibrations