Geometry & MOs

Info

ID:	126228
PubChem CID:	50956281
Reduced:	ON4C23H28 (1)
Stoich.:	AB4C23D28 (1)
Weight, g/mol:	300.183778
ΔH_f, kcal/mol:	38.57
Dipole, Da:	3.44
IP(EA), eV:	-8.76(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]-2-methyl-1,4-diazepan-5-one

Drug info:

PubChemData

Smile

CN1CCC(CC1)OCCCN2C=NC(=C2C3=CC=NC=C3)C4=CC=CC=C4

DOS

IR

Vibrations