Geometry & MOs

Info

ID:	242898
PubChem CID:	99213689
Reduced:	BrO3N4H17C18 (1)
Stoich.:	AB3C4D17E18 (1)
Weight, g/mol:	432.204907
ΔH_f, kcal/mol:	31.93
Dipole, Da:	7.78
IP(EA), eV:	-9.36(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-3-naphthalen-1-yloxypropan-1-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)N(C)C(=O)CCN2C3=C(C=CC(=C3)[N+](=O)[O-])C=N2

DOS

IR

Vibrations