Geometry & MOs

Info

ID:	379167
PubChem CID:	134356324
Reduced:	O3N9C20H21 (1)
Stoich.:	A3B9C20D21 (1)
Weight, g/mol:	185.141579
ΔH_f, kcal/mol:	1.8
Dipole, Da:	2.0
IP(EA), eV:	-8.36(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(7,7-dimethyloxepan-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1(C(NC2=C1C=CC(=C2)NC3=NN4C=CN=C(C4=N3)N5CC6(C5)C(=O)NC(=O)N6)O)C

DOS

IR

Vibrations