Geometry & MOs

Info

ID:	313059
PubChem CID:	126611492
Reduced:	SN4O7C27H42 (1)
Stoich.:	AB4C7D27E42 (1)
Weight, g/mol:	201.172879
ΔH_f, kcal/mol:	-303.15
Dipole, Da:	3.13
IP(EA), eV:	-9.21(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-amino-3-methylbutoxy)-4-methylpentanal

Drug info:

PubChemData

Smile

CCCC(=O)OCN(CC[C@H](C1=NC(=CS1)C=O)OC(=O)C)C(=O)C(C(C)CC)NC(=O)[C@H]2CCCCN2C

DOS

IR

Vibrations