Geometry & MOs

Info

ID:	346779
PubChem CID:	127271283
Reduced:	O2N5C19H31 (1)
Stoich.:	A2B5C19D31 (1)
Weight, g/mol:	319.200825
ΔH_f, kcal/mol:	-73.4
Dipole, Da:	2.88
IP(EA), eV:	-8.72(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(oxolan-2-yl)propan-2-yl]-4-pyridazin-3-ylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(CC1CCCO1)NC(=O)NCC2=C(N=CC=C2)N3CCN(CC3)C

DOS

IR

Vibrations