Geometry & MOs

Info

ID:	281101
PubChem CID:	103905708
Reduced:	BrNO2C16H22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	276.147393
ΔH_f, kcal/mol:	-49.31
Dipole, Da:	3.45
IP(EA), eV:	-8.91(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-N-[1-(3-nitrophenyl)ethyl]oxolan-3-amine

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)OC)Br)NC2CCOC2C3CC3

DOS

IR

Vibrations