Geometry & MOs

Info

ID:	159838
PubChem CID:	57288805
Reduced:	ClFO2N5C35H35 (1)
Stoich.:	ABC2D5E35F35 (1)
Weight, g/mol:	174.140851
ΔH_f, kcal/mol:	-37.36
Dipole, Da:	11.47
IP(EA), eV:	-8.46(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropylbutan-2-ylbenzene

Drug info:

PubChemData

Smile

CC(=O)N(CC1=CC=CC=C1Cl)CC(CC2=CNC3=CC=CC=C32)NC(=O)CN4CCC(=CC4)C5=CNC6=C5C=C(C=C6)F

DOS

IR

Vibrations