Geometry & MOs

Info

ID:	329216
PubChem CID:	126732229
Reduced:	N6O9C45H62 (1)
Stoich.:	A6B9C45D62 (1)
Weight, g/mol:	120.089878
ΔH_f, kcal/mol:	-366.73
Dipole, Da:	8.37
IP(EA), eV:	-9.02(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-diamino-3-methoxypropan-2-ol

Drug info:

PubChemData

Smile

CCCCCC(C)CCC1=CC(=C(C=C1)C(=O)N[C@@H](CO)C(=O)N(C)[C@H]2C3=CC(=C(C=C3)OCCN)C4=C(C=CC(=C4)C[C@H](NC(=O)[C@@H](NC2=O)C)C(=O)O)OCCN)C

DOS

IR

Vibrations