Geometry & MOs

Info

ID:	148693
PubChem CID:	53788362
Reduced:	N3O4H23C26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	75.056006
ΔH_f, kcal/mol:	-56.29
Dipole, Da:	6.31
IP(EA), eV:	-8.69(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino(114C)propanal

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1=NC=C(C2=C1NC3=C2C(=CC=C3)OC4=NC=CC5=CC=CC=C54)COC

DOS

IR

Vibrations