Geometry & MOs

Info

ID:	204523
PubChem CID:	79977147
Reduced:	N3C16H21 (1)
Stoich.:	A3B16C21 (1)
Weight, g/mol:	180.070578
ΔH_f, kcal/mol:	48.88
Dipole, Da:	5.39
IP(EA), eV:	-8.02(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloroethyl)-4-cyclopropylbenzene

Drug info:

PubChemData

Smile

CC1=NC(=C(N1C(C)C)N)C2=CC=CC=C2C3CC3

DOS

IR

Vibrations