Geometry & MOs

Info

ID:	180736
PubChem CID:	76677325
Reduced:	BN6O7C26H45 (1)
Stoich.:	AB6C7D26E45 (1)
Weight, g/mol:	388.160992
ΔH_f, kcal/mol:	-316.44
Dipole, Da:	8.35
IP(EA), eV:	-9.54(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]pyrrolidin-3-yl]carbamate

Drug info:

PubChemData

Smile

B1(OC2CC3CC(C3(C)C)C2(O1)C)C(CC(C)C)NC(=O)C(CCCN=C(N)N[N+](=O)[O-])NC(=O)CCC(=O)C

DOS

IR

Vibrations