Geometry & MOs

Info

ID:	225837
PubChem CID:	87226508
Reduced:	SN6O8C51H52 (1)
Stoich.:	AB6C8D51E52 (1)
Weight, g/mol:	161.105193
ΔH_f, kcal/mol:	-200.56
Dipole, Da:	6.01
IP(EA), eV:	-8.87(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-aminohexyl hydrogen carbonate

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C(C(=CN=C12)C(=O)N)NC3=CC(=CC=C3)OC)S(=O)(=O)C4=CC=CC(=C4)C(=O)N5CCC(CC5)C6=CC=C(C=C6)CCCCNCC(C7=C8C=CC(=O)NC8=C(C=C7)O)O

DOS

IR

Vibrations