Geometry & MOs

Info

ID:	148839
PubChem CID:	53788508
Reduced:	O3N7C29H29 (1)
Stoich.:	A3B7C29D29 (1)
Weight, g/mol:	364.14018
ΔH_f, kcal/mol:	25.96
Dipole, Da:	4.79
IP(EA), eV:	-8.91(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(bromomethyl)-4-(dicyclohexylmethoxy)benzene

Drug info:

PubChemData

Smile

CCCC1=CN(C(=O)N1CC2=CC=C(C=C2)C3=C(C=CN=C3)C4=NNN=N4)C5=C(C=CC=C5C(=O)O)C(C)C

DOS

IR

Vibrations