Geometry & MOs

Info

ID:	343610
PubChem CID:	127266786
Reduced:	O2N3C17H21 (1)
Stoich.:	A2B3C17D21 (1)
Weight, g/mol:	306.157957
ΔH_f, kcal/mol:	-31.07
Dipole, Da:	2.73
IP(EA), eV:	-9.11(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2-methoxyethoxy)benzoyl]-4-methyl-1,4-diazepan-5-one

Drug info:

PubChemData

Smile

C=CCC1(CCOCC1)NC(=O)CNC2=CC=C(C=C2)C#N

DOS

IR

Vibrations