Geometry & MOs

Info

ID:	349220
PubChem CID:	127274946
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	242.082205
ΔH_f, kcal/mol:	-121.25
Dipole, Da:	7.35
IP(EA), eV:	-9.09(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-1H-pyrrol-2-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2=C(C3=C(N2)CCCC3=O)C

DOS

IR

Vibrations