Geometry & MOs

Info

ID:	310799
PubChem CID:	126587576
Reduced:	ON3C22H23 (1)
Stoich.:	AB3C22D23 (1)
Weight, g/mol:	183.125929
ΔH_f, kcal/mol:	15.11
Dipole, Da:	4.89
IP(EA), eV:	-8.15(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(oxan-3-ylmethoxy)buta-1,3-dien-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=CN(C1)C)C2=C(C=C3C(=C2)CCC(=O)N3)CC4=CC=CC=N4

DOS

IR

Vibrations