Geometry & MOs

Info

ID:	436703
PubChem CID:	135207735
Reduced:	ON6C17H22 (1)
Stoich.:	AB6C17D22 (1)
Weight, g/mol:	201.172879
ΔH_f, kcal/mol:	41.29
Dipole, Da:	4.14
IP(EA), eV:	-9.4(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethoxy-3-methylbutyl)butanamide

Drug info:

PubChemData

Smile

CC[C@@H]1CN(CC1C2=CN=C3N2C4=C(N=CC4)N=C3)C(=O)NCC

DOS

IR

Vibrations