Geometry & MOs

Info

ID:	412129
PubChem CID:	135085003
Reduced:	ClO2N4H33C35 (1)
Stoich.:	AB2C4D33E35 (1)
Weight, g/mol:	321.222152
ΔH_f, kcal/mol:	34.46
Dipole, Da:	4.96
IP(EA), eV:	-8.92(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ditert-butyl-[1-(2-methoxyphenyl)pyrrolidin-2-yl]phosphane

Drug info:

PubChemData

Smile

CCC1CN2CCC1CC2[C@H](C3=C4C=C(C=CC4=NC=C3)O)OC5=C(C(=NC(=N5)C6=CC=CC=C6)Cl)C7=CC=CC=C7

DOS

IR

Vibrations