Geometry & MOs

Info

ID:	299820
PubChem CID:	117695760
Reduced:	SN2O4C39H67 (2)
Stoich.:	AB2C4D39E67 (2)
Weight, g/mol:	182.178299
ΔH_f, kcal/mol:	-553.01
Dipole, Da:	6.52
IP(EA), eV:	-8.36(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-N-methylazepan-2-imine

Drug info:

Smile

CC1=C(C(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)OC(=O)CCC(=O)NCCCN(C)CCSSCCN(C)CCCNC(=O)CCC(=O)OC3=C(C4=C(C(=C3C)C)OC(CC4)(C)CCCC(C)CCCC(C)CCCC(C)C)C)C

DOS

IR

Vibrations