Geometry & MOs

Info

ID:	355338
PubChem CID:	127288315
Reduced:	ON5C19H31 (1)
Stoich.:	AB5C19D31 (1)
Weight, g/mol:	303.20591
ΔH_f, kcal/mol:	-13.08
Dipole, Da:	4.8
IP(EA), eV:	-8.57(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-N-methyl-2-(4-pyridazin-3-yl-1,4-diazepan-1-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)N(C1CCCC1)C(=O)CN2CCCN(CC2)C3=NN=CC=C3

DOS

IR

Vibrations