Geometry & MOs

Info

ID:	421316
PubChem CID:	135115776
Reduced:	N2O3C22H24 (1)
Stoich.:	A2B3C22D24 (1)
Weight, g/mol:	328.178693
ΔH_f, kcal/mol:	-19.4
Dipole, Da:	6.46
IP(EA), eV:	-9.46(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-2-[[4-(2-methylphenyl)-1,4-diazepan-1-yl]methyl]pyran-4-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=CC=C(C=C2)C(=O)N3C[C@@H]4COC[C@H](C3)N(C4=O)C

DOS

IR

Vibrations