Geometry & MOs

Info

ID:	159587
PubChem CID:	57288496
Reduced:	O5C31H46 (1)
Stoich.:	A5B31C46 (1)
Weight, g/mol:	229.142641
ΔH_f, kcal/mol:	-223.57
Dipole, Da:	4.68
IP(EA), eV:	-8.53(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-4-aminopyrrolidine-2-carbonyl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(C)[C@@H](C=CC1(CC1)[C@H]2CC[C@@H]3[C@@]2(CCCC3=CC=C4C[C@H](C[C@@H](C4=C)O)O)C)O

DOS

IR

Vibrations