Geometry & MOs

Info

ID:	70237
PubChem CID:	48409677
Reduced:	N4O5C17H22 (1)
Stoich.:	A4B5C17D22 (1)
Weight, g/mol:	411.22704
ΔH_f, kcal/mol:	-82.57
Dipole, Da:	6.07
IP(EA), eV:	-9.33(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)butanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CCOC)C)CNC(=O)COC2=CC=CC(=C2)[N+](=O)[O-]

DOS

IR

Vibrations