Geometry & MOs

Info

ID:	289439
PubChem CID:	104353923
Reduced:	O2N6C11H18 (1)
Stoich.:	A2B6C11D18 (1)
Weight, g/mol:	292.178693
ΔH_f, kcal/mol:	-33.02
Dipole, Da:	1.64
IP(EA), eV:	-8.83(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[4-(4-hydroxyphenyl)butan-2-yl]pyrrolidin-3-yl]carbamate

Drug info:

PubChemData

Smile

CC(=O)NC1CCN(C1)C2=NC=NC(=C2OC)NN

DOS

IR

Vibrations