Geometry & MOs

Info

ID:	360167
PubChem CID:	127300760
Reduced:	ON5C22H25 (1)
Stoich.:	AB5C22D25 (1)
Weight, g/mol:	396.146537
ΔH_f, kcal/mol:	35.68
Dipole, Da:	5.53
IP(EA), eV:	-8.69(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)N3CCCN(CC3)C4=NN=C(C=C4)C

DOS

IR

Vibrations