Geometry & MOs

Info

ID:	448667
PubChem CID:	135292652
Reduced:	N12O13C45H70 (1)
Stoich.:	A12B13C45D70 (1)
Weight, g/mol:	180.095043
ΔH_f, kcal/mol:	-482.15
Dipole, Da:	10.33
IP(EA), eV:	-9.28(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-ethylcyclopropyl)-2-fluorophenol

Drug info:

PubChemData

Smile

CCC(C)C1C(=O)NC(CN[C@H](C(=O)N[C@@H](CCC(=O)NCC(=O)NC(CN1)(CC2=CC=C(C=C2)O)C=O)C(=O)N(C)CC(=O)N[C@@H](CCC(C)C)C(=O)NCC(=O)N)CC(=O)N)(CCC(=O)N)C=O

DOS

IR

Vibrations