Geometry & MOs

Info

ID:	355349
PubChem CID:	127288326
Reduced:	ON5C18H29 (1)
Stoich.:	AB5C18D29 (1)
Weight, g/mol:	317.221561
ΔH_f, kcal/mol:	-14.86
Dipole, Da:	4.77
IP(EA), eV:	-8.57(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-N-methyl-2-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCN(CC2)CCC(=O)N3CCCCC3

DOS

IR

Vibrations