Geometry & MOs

Info

ID:	175744
PubChem CID:	75942656
Reduced:	O4N5C24H33 (1)
Stoich.:	A4B5C24D33 (1)
Weight, g/mol:	318.194343
ΔH_f, kcal/mol:	-148.69
Dipole, Da:	4.42
IP(EA), eV:	-9.36(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[methyl-(4-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCNC(=O)C1CCCN(C1)C(=O)C2=CN(N=C2)CC3=CC=CC=C3

DOS

IR

Vibrations