Geometry & MOs

Info

ID:	349329
PubChem CID:	127275116
Reduced:	SO2N4C13H18 (1)
Stoich.:	AB2C4D13E18 (1)
Weight, g/mol:	304.178693
ΔH_f, kcal/mol:	-30.24
Dipole, Da:	2.53
IP(EA), eV:	-9.16(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-chromen-4-yl)-2-(2-methyl-1,4-oxazepan-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)CC2=NN3C(=O)C=C(N=C3S2)C

DOS

IR

Vibrations