Geometry & MOs

Info

ID:	309276
PubChem CID:	126541539
Reduced:	BrO2N4C18H23 (1)
Stoich.:	AB2C4D18E23 (1)
Weight, g/mol:	305.21435
ΔH_f, kcal/mol:	-43.97
Dipole, Da:	3.84
IP(EA), eV:	-8.98(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-1-en-2-ylphenyl)-N-[(4-but-1-en-2-ylphenyl)methyl]methanamine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC[C@H]1C2=NC=C(N2N)C3=CC=C(C=C3)Br

DOS

IR

Vibrations