Geometry & MOs

Info

ID:	355341
PubChem CID:	127288318
Reduced:	N7C18H23 (1)
Stoich.:	A7B18C23 (1)
Weight, g/mol:	313.201494
ΔH_f, kcal/mol:	120.4
Dipole, Da:	4.44
IP(EA), eV:	-8.51(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-4-pyridazin-3-yl-1,4-diazepane

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(C=N2)CN3CCCN(CC3)C4=NN=CC=C4)C

DOS

IR

Vibrations