Geometry & MOs

Info

ID:	318181
PubChem CID:	126649437
Reduced:	F2N2O3C26H26 (1)
Stoich.:	A2B2C3D26E26 (1)
Weight, g/mol:	202.95819
ΔH_f, kcal/mol:	-183.82
Dipole, Da:	5.92
IP(EA), eV:	-8.55(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-bromoethynyl)cyclopropyl]carbamic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N(C)C(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=C(C=C3)C(CO)(F)F)C

DOS

IR

Vibrations