Geometry & MOs

Info

ID:	130395
PubChem CID:	51075810
Reduced:	N4O4C17H20 (1)
Stoich.:	A4B4C17D20 (1)
Weight, g/mol:	246.173213
ΔH_f, kcal/mol:	-88.2
Dipole, Da:	3.76
IP(EA), eV:	-9.22(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopropyl-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=NO1)COC2=CC=C(C=C2)C(=O)N3CCCC(C3)C(=O)N

DOS

IR

Vibrations