Geometry & MOs

Info

ID:	374477
PubChem CID:	131330018
Reduced:	ION2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	270.03678
ΔH_f, kcal/mol:	1.16
Dipole, Da:	4.38
IP(EA), eV:	-8.97(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-4-methyl-4,5,7,8-tetrahydro-1H-pyrrolo[2,3-d]azepin-6-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)NC(=O)C2CC2(C)C)I

DOS

IR

Vibrations