Geometry & MOs

Info

ID:	196533
PubChem CID:	78845360
Reduced:	ON4C15H26 (1)
Stoich.:	AB4C15D26 (1)
Weight, g/mol:	410.195405
ΔH_f, kcal/mol:	-33.25
Dipole, Da:	1.6
IP(EA), eV:	-8.74(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(dimethylamino)-3-nitrophenyl]-[2-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NCC(C(C)C)N2CCOCC2)C

DOS

IR

Vibrations