Geometry & MOs

Info

ID:	175948
PubChem CID:	75971565
Reduced:	N5O7C30H41 (1)
Stoich.:	A5B7C30D41 (1)
Weight, g/mol:	213.172879
ΔH_f, kcal/mol:	-242.12
Dipole, Da:	3.66
IP(EA), eV:	-8.28(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-N-(3-methyl-1-oxopentan-2-yl)butanamide

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)N1CC2=C(CC1C(=O)NC3=CC=C(C=C3)OC)C=CC(=C2)OCC(=O)NO)NC(=O)C(C(C)C)N

DOS

IR

Vibrations