Geometry & MOs

Info

ID:	188028
PubChem CID:	77655027
Reduced:	O2N4H18C19 (1)
Stoich.:	A2B4C18D19 (1)
Weight, g/mol:	513.237604
ΔH_f, kcal/mol:	24.0
Dipole, Da:	4.21
IP(EA), eV:	-8.22(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-1-[5-[[4-[3-methyl-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxymethyl]pyrrolidin-3-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC2=NNC(=O)N2C3=CC(C(=O)C=C13)C4=CC=C(C=C4)N(C)C

DOS

IR

Vibrations