Geometry & MOs

Info

ID:	360168
PubChem CID:	127300761
Reduced:	ClON6C20H21 (1)
Stoich.:	ABC6D20E21 (1)
Weight, g/mol:	376.201159
ΔH_f, kcal/mol:	62.34
Dipole, Da:	5.77
IP(EA), eV:	-8.82(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(5-methylpyrazol-1-yl)phenyl]-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCN(CC2)C(=O)C3=C(NN=C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations