Geometry & MOs

Info

ID:	349215
PubChem CID:	127274941
Reduced:	O2N3C13H21 (1)
Stoich.:	A2B3C13D21 (1)
Weight, g/mol:	256.097855
ΔH_f, kcal/mol:	-73.12
Dipole, Da:	4.94
IP(EA), eV:	-9.16(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2=C(N(N=C2C)C)C

DOS

IR

Vibrations