Geometry & MOs

Info

ID:	427883
PubChem CID:	135164902
Reduced:	BrClON2C23H26 (1)
Stoich.:	ABCD2E23F26 (1)
Weight, g/mol:	353.210327
ΔH_f, kcal/mol:	23.07
Dipole, Da:	5.07
IP(EA), eV:	-8.87(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azetidin-3-yl)-N-[[3-prop-2-enoxy-5-(2-pyridin-2-ylethoxy)phenyl]methyl]methanamine

Drug info:

PubChemData

Smile

C=CCOC1=C(C=C(C=C1)/C=C/C2=C(C=C(C=C2)Cl)Br)CNCC3CCNC3

DOS

IR

Vibrations