Geometry & MOs

Info

ID:	216680
PubChem CID:	85086599
Reduced:	NO6C13H25 (1)
Stoich.:	AB6C13D25 (1)
Weight, g/mol:	291.194677
ΔH_f, kcal/mol:	-279.72
Dipole, Da:	4.35
IP(EA), eV:	-9.15(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[4-(4-aminophenyl)pyrrolidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1(OC2C(C(OC2O1)C(CO)O)OCCN(C)C)C

DOS

IR

Vibrations