Geometry & MOs

Info

ID:	415820
PubChem CID:	135088821
Reduced:	SN4O4C17H24 (1)
Stoich.:	AB4C4D17E24 (1)
Weight, g/mol:	330.205576
ΔH_f, kcal/mol:	-133.41
Dipole, Da:	5.49
IP(EA), eV:	-9.19(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-benzyl-1,4-oxazepan-2-yl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine

Drug info:

PubChemData

Smile

CC1=CC2=NC(=C(N2C=C1)C(=O)N[C@H]3COC[C@H]3CS(=O)(=O)N(C)C)C

DOS

IR

Vibrations