Geometry & MOs

Info

ID:	330575
PubChem CID:	127247982
Reduced:	ON6C18H28 (1)
Stoich.:	AB6C18D28 (1)
Weight, g/mol:	291.169525
ΔH_f, kcal/mol:	22.3
Dipole, Da:	4.36
IP(EA), eV:	-8.4(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-N,N-dimethyl-4-pyrazin-2-yl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C(C=NN12)CN3CCN(CC(C3)C(=O)N(C)C)C)C

DOS

IR

Vibrations