Geometry & MOs

Info

ID:	272754
PubChem CID:	103755537
Reduced:	BrON3C14H14 (1)
Stoich.:	ABC3D14E14 (1)
Weight, g/mol:	204.126263
ΔH_f, kcal/mol:	11.08
Dipole, Da:	4.76
IP(EA), eV:	-9.76(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-3-methyl-N-pent-4-ynylcyclobutane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)CN(C)C(=O)C2=CC(=NC=C2)Br

DOS

IR

Vibrations