Geometry & MOs

Info

ID:	330500
PubChem CID:	127247907
Reduced:	NOC6H9 (3)
Stoich.:	ABC6D9 (3)
Weight, g/mol:	333.205242
ΔH_f, kcal/mol:	-121.47
Dipole, Da:	3.06
IP(EA), eV:	-8.76(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-methoxy-5-methylphenyl)acetyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(O1)CCCC2)C(=O)N3CCN(CC(C3)C(=O)NC)C

DOS

IR

Vibrations