Geometry & MOs

Info

ID:	346474
PubChem CID:	127270978
Reduced:	O3N4C16H24 (1)
Stoich.:	A3B4C16D24 (1)
Weight, g/mol:	384.227374
ΔH_f, kcal/mol:	-117.18
Dipole, Da:	4.64
IP(EA), eV:	-8.69(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(6-ethoxypyridazin-3-yl)-5-methylpyrazol-4-yl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)NCC(=O)NCC2CN(CCO2)C

DOS

IR

Vibrations