Geometry & MOs

Info

ID:	349217
PubChem CID:	127274943
Reduced:	NSO2C15H21 (1)
Stoich.:	ABC2D15E21 (1)
Weight, g/mol:	236.152478
ΔH_f, kcal/mol:	-83.69
Dipole, Da:	4.32
IP(EA), eV:	-9.07(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,5-dimethylpyrrol-2-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2=CSC3=C2CCCC3

DOS

IR

Vibrations