Geometry & MOs

Info

ID:	359549
PubChem CID:	127298823
Reduced:	ClO2N4C20H25 (1)
Stoich.:	AB2C4D20E25 (1)
Weight, g/mol:	368.221226
ΔH_f, kcal/mol:	-23.53
Dipole, Da:	4.6
IP(EA), eV:	-8.56(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NCC3=CC4=C(C(=C3)Cl)OCCCO4

DOS

IR

Vibrations