Geometry & MOs

Info

ID:	149093
PubChem CID:	53788764
Reduced:	O3N7C30H35 (1)
Stoich.:	A3B7C30D35 (1)
Weight, g/mol:	168.078644
ΔH_f, kcal/mol:	-13.95
Dipole, Da:	8.11
IP(EA), eV:	-8.1(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-hydroxybut-2-ynyl)cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)NC1=C(N=CC=C1)N2CCN(C(C2)C=O)C3=CC4=C(N3)C=CC(=C4)NC(=O)C(N)OCC5=CC=CC=C5

DOS

IR

Vibrations