Geometry & MOs

Info

ID:	312285
PubChem CID:	126604123
Reduced:	NOF2C11H11 (2)
Stoich.:	ABC2D11E11 (2)
Weight, g/mol:	500.274718
ΔH_f, kcal/mol:	-271.42
Dipole, Da:	9.97
IP(EA), eV:	-9.1(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[[3-(2-pyrrolidin-1-ylethyl)phenyl]methyl]amino]acetate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)F)C(=O)N2CCC[C@@H](C2)C(=O)NC3=CC(=C(C=C3)C)C(F)(F)F

DOS

IR

Vibrations